2-[1-[2-(4-carbamimidoyl-2-methyl-phenyl)pyrimidin-5-yl]carbonylpiperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[2-(4-carbamimidoyl-2-methyl-phenyl)pyrimidin-5-yl]carbonylpiperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[2-(4-carbamimidoyl-2-methyl-phenyl)pyrimidine-5-carbonyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[[2-(4-carbamimidoyl-2-methylphenyl)-5-pyrimidinyl]-oxomethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[2-(4-carbamimidoyl-2-methylphenyl)pyrimidine-5-carbonyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-(4-amidino-2-methyl-phenyl)pyrimidine-5-carbonyl]-4-piperidyl]acetic acid Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)C2=NC=C(C=N2)C(=O)N3CCC(CC3)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)C2=NC=C(C=N2)C(=O)N3CCC(CC3)CC(=O)O

InChI

InChI=1S/C20H23N5O3/c1-12-8-14(18(21)22)2-3-16(12)19-23-10-15(11-24-19)20(28)25-6-4-13(5-7-25)9-17(26)27/h2-3,8,10-11,13H,4-7,9H2,1H3,(H3,21,22)(H,26,27)